Caulibugulone F
Basic information
- CAS
662167-20-6- Standard SMILES
CN=C1C=C(NCCO)c2ccncc2C1=O- InChIKey
WLSYCPCYTGRLHZ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- Caulibugulone F
- IUPAC
- 5-(2-hydroxyethylamino)-7-methyliminoisoquinolin-8-one
Names & synonyms
Caulibugulone F662167-20-65-((2-Hydroxyethyl)imino)-7-(methylamino)isoquinolin-8(5H)-one(7e)-5-[(2-hydroxyethyl)amino]-7-(methylimino)isoquinolin-8(7h)-oneCHEMBL525254DTXSID90274379NSC731588NSC-731588
Database identifiers
- CAS
662167-20-6- PubChem CID
- 2600
- DTXSID
DTXSID90274379- ChEMBL
CHEMBL525254- Nikkaji
- J2.007.141I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…